Geometry & MOs

Info

ID:	38763
PubChem CID:	8137887
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-46.21
Dipole, Da:	4.13
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCCCCCC2=NC(=NO2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations